(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide

C16H16N2O4 — CID 7453832

IUPAC(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyZIMDKXQUCGFQDV-GFCCVEGCSA-N
MW300.31 g/mol
LogP3.31
Rot. Bonds5

About (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide

(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide (PubChem CID 7453832) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
PubChem CID7453832
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeyZIMDKXQUCGFQDV-GFCCVEGCSA-N
XLogP3.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide (CID 7453832) is (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
The InChIKey is ZIMDKXQUCGFQDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-15(11)17-16(19)12(2)22-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide?
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide is sourced from PubChem (CID 7453832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).